AB52311
656247-18-6 | (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1h-indole-6-carboxylic acid methyl ester ethanesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AB52311
ChemicalName
(3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1h-indole-6-carboxylic acid methyl ester ethanesulfonate
CasNumber
656247-18-6
MolecularFormula
C33H39N5O7S
MolecularWeight
649.7571
MdlNumber
MFCD26142360
Smiles
CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C
NscNumber
753000
Complexity
997
Covalently-bondedUnitCount
2
HeavyAtomCount
46
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
9
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CatalogNumber: AB52311
ChemicalName: (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1h-indole-6-carboxylic acid methyl ester ethanesulfonate
CasNumber: 656247-18-6
MolecularFormula: C33H39N5O7S
MolecularWeight: 649.7571
MdlNumber: MFCD26142360
Smiles: CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C
NscNumber: 753000
Complexity: 997
Covalently-bondedUnitCount: 2
HeavyAtomCount: 46
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 9
CatalogNumber:
AB52311
ChemicalName:
(3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1h-indole-6-carboxylic acid methyl ester ethanesulfonate
CasNumber:
656247-18-6
MolecularFormula:
C33H39N5O7S
MolecularWeight:
649.7571
MdlNumber:
MFCD26142360
Smiles:
CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C
NscNumber:
753000
Complexity:
997
Covalently-bondedUnitCount:
2
HeavyAtomCount:
46
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cccs1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cccs1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB52313
ChemicalName: H-Beta-Ala-OtBu HCl
CasNumber: 58620-93-2
MolecularFormula: C7H16ClNO2
MolecularWeight: 181.6604
MdlNumber: MFCD00058258
Smiles: NCCC(=O)OC(C)(C)C.Cl
NscNumber: __
Complexity: 115
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AB52313
ChemicalName:
H-Beta-Ala-OtBu HCl
CasNumber:
58620-93-2
MolecularFormula:
C7H16ClNO2
MolecularWeight:
181.6604
MdlNumber:
MFCD00058258
Smiles:
NCCC(=O)OC(C)(C)C.Cl
NscNumber:
__
Complexity:
115
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: *CC(O)*
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
*CC(O)*
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__